Cheminformatics
Stand Alone Services

Library Design
Lead Optimisation
Virtual Screening
Ligand Profiling

 
In conjunction with its chemistry service, Idealp-Pharma delivers state-of-the-art, computer-assisted techniques to assist hit or lead identification, optimization and profiling. Idealp-Pharma offers a comprehensive range of pertinent commercial software, combined with novel, proprietary cheminformatics approaches developed in-house.

Library design
We design customized libraries by starting from commercially available 'drug-like' compounds - thus ensuring maximal diversity for a user-defined number of molecules.
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Lead optimisation
Focussed screening of small-sized libraries (< 500 compounds) against a macromolecular target for which hits/leads have already been identified.
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Virtual screening
From among 5 million commercially available compounds, we pick up the most likely hits for your target on the basis of either a known pharmacophore or the 3-D structure of an active site.
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Ligand profiling
Selectivity profiling: we identify secondary targets for a known hit/lead via in silico proprietary strategies. 
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Cheminformatics,Molecular_Modeling,Cheminformatics_Services - Copyright 2005 Idealp-Pharma - Réalisation www.comete.com - Crédit photo : Vincent Ramet & Virginie Gaudin